3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile

C13H19N3OS — CID 103426567

IUPAC3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
SMILESCOc1c(NC2CCC(C)CC2)sc(C#N)c1N
InChIInChI=1S/C13H19N3OS/c1-8-3-5-9(6-4-8)16-13-12(17-2)11(15)10(7-14)18-13/h8-9,16H,3-6,15H2,1-2H3
InChIKeyKSNBLPJQSHDEGA-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.20
Rot. Bonds3

About 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile

3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile (PubChem CID 103426567) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
PubChem CID103426567
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
SMILESCOc1c(NC2CCC(C)CC2)sc(C#N)c1N
InChIInChI=1S/C13H19N3OS/c1-8-3-5-9(6-4-8)16-13-12(17-2)11(15)10(7-14)18-13/h8-9,16H,3-6,15H2,1-2H3
InChIKeyKSNBLPJQSHDEGA-UHFFFAOYSA-N
XLogP3.20
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508090
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426608
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
3-amino-4-methoxy-5-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-2-carbonitrile
CID 106029415
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923
3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
CID 106029269
3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103423960
3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
CID 104716184
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile (CID 103426567) is 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile is COc1c(NC2CCC(C)CC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The InChIKey is KSNBLPJQSHDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-3-5-9(6-4-8)16-13-12(17-2)11(15)10(7-14)18-13/h8-9,16H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile has a molecular weight of 265.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103426567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).